Thierry Kogej

AstraZeneca (Australia) — Australia

Computer Science · Physical Sciences

27h-index6.2kcitations88works0.72yr avg
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Research Topics

Computational Drug Discovery Methods(47), Machine Learning in Materials Science(24), Chemical Synthesis and Analysis(15), Nonlinear Optical Materials Research(11), Innovative Microfluidic and Catalytic Techniques Innovation(9)

Publications88 total

SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis
Journal of Cheminformatics·2025Open Access
SMARTS-RX: A SMARTS-Based Representation of Chemical Functions for reactivity analysis
2025· 1 citedOpen Access
Precedent Finder: Locating Pareto-Optimal Reactions
Journal of Chemical Information and Modeling·2025· 1 cited
Author response for "From concept to chemistry: integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis planning"
2025
Precedent Finder – Locating Pareto-Optimal Reactions
2025· 1 cited
From Concept to Chemistry: Integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis planning
2025Open Access
Network Analysis of the Organic Chemistry in Patents, Literature, and Pharmaceutical Industry
Molecular Informatics·2025Open Access
Predicting reaction conditions: a data-driven perspective
Chemical Science·2025· 1 citedOpen Access
From concept to chemistry: integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis planning
Chemical Science·2025· 1 citedOpen Access
NETWORK ANALYSIS OF THE ORGANIC CHEMISTRY IN PATENTS,LITERATURE, AND PHARMACEUTICAL INDUSTRY
2024
Scoring the Synthesizability of Any Novel Non-natural Amino Acid
2024Open Access
Expanding the chemical space using a chemical reaction knowledge graph
Digital Discovery·2024· 3 citedOpen Access
Expanding the chemical space using a Chemical Reaction Knowledge Graph
2023· 1 citedOpen Access
Collaborative Virtual Screening Identifies a 2-Aryl-4-aminoquinazoline Series with Efficacy in an <i>In Vivo</i> Model of <i>Trypanosoma cruzi</i> Infection
Journal of Medicinal Chemistry·2023· 7 citedOpen Access
On the use of real-world datasets for reaction yield prediction
Chemical Science·2023· 120 citedOpen Access
Prediction of the Chemical Context for Buchwald‐Hartwig Coupling Reactions
Molecular Informatics·2022· 13 citedOpen Access
Automated stopped-flow library synthesis for rapid optimisation and machine learning directed experimentation
Chemical Science·2022· 26 citedOpen Access
Prediction of the chemical context for Buchwald-Hartwig coupling reactions
2021Open Access
Prediction of the chemical context for Buchwald-Hartwig coupling reactions
2021Open Access
Approaches using AI in medicinal chemistry
Elsevier eBooks·2021· 2 cited
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Frequent Co-authors

Ola Engkvist(23), Esben Jannik Bjerrum(9), Jean‐Luc Brédas(8), Hongming Chen(7), Christian Tyrchan(6), Sorel Mureşan(6), David Beljonne(5), Seth R. Marder(5), Niklas Blomberg(5), Joseph W. Perry(4), Vendy Fialková(4), Jiaxi Zhao(4), Kostas Papadopoulos(4), Atanas Patronov(4), Amol Thakkar(3), Mandana Saebi(3), Bozhao Nan(3), Zhichun Guo(3), A. Zuranski(3), Per‐Ola Norrby(3)